Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | SYK | P43405 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17955463 | 0.86 | NPSR1 (0.53) | ALDH1A1NPSR1MEN1KMT2ARAB9A | |
| SCHEMBL15062003 | 0.82 | SYK (0.46) | ALDH1A1SYKRAB9ACYP11B1CYP11B2 | |
| SCHEMBL15076166 | 0.80 | MAPT (0.45) | NPSR1KMT2ASYKRAB9ACYP11B1 | |
| SCHEMBL2558141 | 0.76 | SYK (0.44) | ALDH1A1KMT2ASYKRAB9ACYP11B1 | |
| SCHEMBL14850067 | 0.76 | L3MBTL1 (0.42) | ALDH1A1HTTKDM4ETDP1RBP4 | |
| SCHEMBL14927335 | 0.75 | HTR2C (0.46) | ALDH1A1MEN1KMT2AHTTKDM4E | |
| SCHEMBL14850369 | 0.74 | L3MBTL1 (0.43) | ALDH1A1MEN1KMT2AHTTKDM4E | |
| SCHEMBL12301168 | 0.72 | CA12 (0.47) | ALDH1A1MEN1KMT2ASYKNPC1 | |
| SCHEMBL17955455 | 0.72 | IDO1 (0.45) | ALDH1A1NPSR1MEN1KMT2AHTT | |
| SCHEMBL17955432 | 0.72 | L3MBTL1 (0.42) | ALDH1A1NPSR1MEN1KMT2AHTT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9403835-B2 | Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators | ARES TRADING S.A. (CH) | 2016-08-02 | — | — | US | disclosed |
| US-9403835-B2 | Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators | ARES TRADING S.A. (CH) | 2016-08-02 | — | — | US | disclosed |